mlip_arena/models/registry.yaml

MACE-MP(M):
  module: externals
  class: MACE_MP_Medium
  family: mace
  username: cyrusyc # HF username
  last-update: 2024-03-25T14:30:00
  datetime: 2024-03-25T14:30:00 # TODO: Fake datetime
  datasets: # list of training datasets
    - atomind/mptrj # TODO: fake HF dataset repo
  cpu-tasks:
    - alexandria
    - qmof
  gpu-tasks:
    - diatomics
  github: https://github.com/ACEsuit/mace
  doi: https://arxiv.org/abs/2401.00096
  date: 2023-12-29

CHGNet:
  module: externals
  class: CHGNet
  family: chgnet
  username: cyrusyc
  last-update: 2024-07-08T00:00:00
  datetime: 2024-07-08T00:00:00
  datasets:
    - atomind/mptrj
  gpu-tasks:
    - diatomics

EquiformerV2(OC22):
  module: externals
  class: EquiformerV2
  family: equiformer
  username: cyrusyc
  last-update: 2024-07-08T00:00:00
  datetime: 2024-07-08T00:00:00
  datasets:
    - ocp
  gpu-tasks:
    - diatomics

eSCN(OC20):
  module: externals
  class: eSCN
  family: escn
  username: cyrusyc
  last-update: 2024-07-08T00:00:00
  datetime: 2024-07-08T00:00:00
  datasets:
    - ocp
  gpu-tasks:
    - diatomics


# CHGNet:
#   module: chgnet
#   username: cyrusyc
#   datetime: 2024-03-25T14:30:00
#   datasets:
#     - atomind/mptrj
#   cpu-tasks:
#     - diatomics